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	hartrees
Energy at 0K	-65.860614
Energy at 298.15K	-65.864559
HF Energy	-65.860614
Nuclear repulsion energy	31.846751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	2969	13.11
2	A'	2991	2870	3.58
3	A'	2562	2458	111.14
4	A'	1472	1412	4.02
5	A'	1323	1269	78.36
6	A'	1237	1187	16.83
7	A'	1077	1034	65.05
8	A'	982	942	11.83
9	A'	549	527	0.85
10	A"	3148	3020	14.46
11	A"	2634	2527	152.47
12	A"	1424	1366	5.35
13	A"	1058	1015	20.27
14	A"	681	654	0.66
15	A"	172	165	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.681	0.000
B2	-0.020	0.869	0.000
H3	1.056	-0.939	0.000
H4	-0.435	-1.146	0.897
H5	-0.435	-1.146	-0.897
H6	0.015	1.486	-1.028
H7	0.015	1.486	1.028

	C1	B2	H3	H4	H5	H6	H7
C1		1.5501	1.1060	1.0927	1.0927	2.3984	2.3984
B2	1.5501		2.1035	2.2447	2.2447	1.1993	1.1993
H3	1.1060	2.1035		1.7523	1.7523	2.8317	2.8317
H4	1.0927	2.2447	1.7523		1.7947	3.2917	2.6731
H5	1.0927	2.2447	1.7523	1.7947		2.6731	3.2917
H6	2.3984	1.1993	2.8317	3.2917	2.6731		2.0561
H7	2.3984	1.1993	2.8317	2.6731	3.2917	2.0561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.940	C1	B2	H7	120.940
B2	C1	H3	103.471	B2	C1	H4	115.191
B2	C1	H5	115.191	H3	C1	H4	105.687
H3	C1	H5	105.687	H4	C1	H5	110.418
H6	B2	H7	118.013

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: PBE1PBE/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.484
2	B	0.101
3	H	0.133
4	H	0.134
5	H	0.134
6	H	-0.009
7	H	-0.009

	x	y	z	Total
	0.122	-0.689	0.000	0.699
CHELPG
AIM
ESP

	x	y	z
x	3.063	-0.025	0.000
y	-0.025	4.632	0.000
z	0.000	0.000	4.097

<r²>	29.233
(<r²>)^1/2	5.407

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)